Chempound

Chempound is a new generation repository architecture based on RDF, semantic dictionaries and linked data. It has been developed to hold any type of chemical object expressible in CML and is exemplified by crystallographic experiments and computational chemistry calculations. In both examples, the repository can hold 50k entries which can be searched by SPARQL endpoints and pre-indexing of key fields. The Chempound architecture is general and adaptable to other fields of data-rich science. The Chempound software is hosted at http://bitbucket.org/chempound and is available under the Apache License, Version 2.0

Chempound 是一种基于 RDF、语义词典和链接数据的下一代数据存储架构。该架构旨在容纳所有可用 CML 表达的化学对象，并以晶体学实验和计算化学计算为例。在这两个示例中，存储库能够容纳 50k 条条目，可通过 SPARQL 端点和关键字段的预索引进行检索。Chempound 架构具有通用性和适应性，适用于数据丰富的科学领域。Chempound 软件托管于 http://bitbucket.org/chempound，并采用 Apache 许可证 2.0 版本提供。